SCHEMBL9622299

SCHEMBL9622299

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.80
NAALAD2 Q9Y3Q0 1/20 0.67
FOLH1 Q04609 1/20 0.67
MMP2 P08253 1/20 0.63
MMP7 P09237 1/20 0.63
MMP9 P14780 1/20 0.63
MMP12 P39900 1/20 0.63
MMP13 P45452 1/20 0.63
ACE P12821 2/20 0.61
LTA4H P09960 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9622303 1.00 MME (0.80) MMENAALAD2FOLH1MMP2MMP7
SCHEMBL11502648 0.89 MME (0.69) MMENAALAD2FOLH1LTA4H
SCHEMBL8249769 0.89 MME (1.00) MME
SCHEMBL5869412 0.89 MME (1.00) MME
SCHEMBL11119164 0.89 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL11122736 0.89 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL11122302 0.89 MME (0.76) MMEMMP2MMP7MMP9MMP12
SCHEMBL5869271 0.89 MME (1.00) MME
SCHEMBL2679035 0.89 MME (1.00) MME
SCHEMBL2679032 0.89 MME (1.00) MME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP disclosed